input word = C00002284

Metabolite InformationStructural formula
Name Cinnamoylcocaine
Formula C19H23NO4
Mw 329.16270823
CAS RN 521-67-5
C_ID C00002284 ,
InChIKey MQIXMJWNEKUAOZ-MDIVNHGJNA-N
InChICode InChI=1S/C19H23NO4/c1-20-14-9-10-15(20)18(19(22)23-2)16(12-14)24-17(21)11-8-13-6-4-3-5-7-13/h3-8,11,14-16,18H,9-10,12H2,1-2H3/b11-8+/t14-,15+,16+,18+/m0/s1
SMILES N1([C@@H]2C[C@H]([C@@H]([C@H]1CC2)C(=O)OC)OC(=O)/C=C/c1ccccc1)C
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Asp Secologanin
Organism
Kingdom Family Species Reference
PlantaeErythroxylaceaeErythroxylum coca Ref.
PlantaeErythroxylaceaeErythroxylum truxillense Ref.
--Erythroxylon coco Ref.
--Erythroxylon monogynum Roxb. Ref.
zoom in



OrganismErythroxylon coco
ReferenceTurner,Phytochem.,20,(1981),1403